Energy- and sensing-related applications using two-dimensional (2D) materials with tunable optoelectronic properties have been a hot topic of research. The genres of 2D materials grow every day, leading to new possibilities in optoelectronic devices. In this Perspective, we have discussed in a nutshell several impacts of light−matter interactions in new-generation 2D materials. Using reliable computational approaches, in-depth understanding about the fundamental optical absorption and emission character as well as further prediction of the potential applications for these materials in the field of photovoltaics and sensing have been explored. Various modifications of the parent 2D materials by computational designing with enhanced performance have been investigated to guide the experimental efforts. The major computational challenges and their probable solutions for 2D-material-based optoelectronic research have also been briefly outlined.

中文翻译：

---

从计算角度看新一代二维材料的光芒

使用具有可调光电特性的二维（2D）材料的与能源和传感相关的应用一直是研究的热点。二维材料的种类每天都在增长，从而为光电设备带来了新的可能性。在本《观点》中，我们简述了新一代2D材料中光与物质相互作用的几种影响。使用可靠的计算方法，已经探索了对基本光学吸收和发射特性的深入了解，并进一步预测了这些材料在光伏和传感领域的潜在应用。已经研究了通过具有增强性能的计算设计对母体2D材料进行的各种修改，以指导实验工作。